General Information of the Compound
Compound ID
CP0546786
Compound Name
4-fluoro-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzenesulfonamide
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Structure
Formula
C18H17FN2O2S
Molecular Weight
344.411
Canonical SMILES
Fc1ccc(cc1)S(=O)(=O)NC1CCc2c(C1)[nH]c1ccccc21
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InChI
InChI=1S/C18H17FN2O2S/c19-12-5-8-14(9-6-12)24(22,23)21-13-7-10-16-15-3-1-2-4-17(15)20-18(16)11-13/h1-6,8-9,13,20-21H,7,10-11H2
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InChIKey
CCTCKYNXDULHSP-UHFFFAOYSA-N
Physicochemical Property
logP
3.1428
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
61.96
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
24

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 108481028
ChEMBL ID
CHEMBL4075949
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06122, Retinoblastoma-associated protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000111 MDA-MB-231 Homo sapiens (Human)  1
1
IC50 = 9500 nM
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